N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(3-methyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-keto-3-methyl-benzimidazol-1-yl)propionamide Formula: C23H28N4O4S MolecularWeight: 456.55782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O4S/c1-25-20-8-4-5-9-21(20)27(23(25)29)17-14-22(28)24-18-10-12-19(13-11-18)32(30,31)26-15-6-2-3-7-16-26/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28)